N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide

C17H19ClN2O — CID 53231452

IUPACN-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide
SMILESCN(Cc1ccc(Cl)cc1)Cc1ccc(CNC=O)cc1
InChIInChI=1S/C17H19ClN2O/c1-20(12-16-6-8-17(18)9-7-16)11-15-4-2-14(3-5-15)10-19-13-21/h2-9,13H,10-12H2,1H3,(H,19,21)
InChIKeyVIVLCBQPCVVTPL-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.22
Rot. Bonds7

About N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide

N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide (PubChem CID 53231452) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide
PubChem CID53231452
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide
SMILESCN(Cc1ccc(Cl)cc1)Cc1ccc(CNC=O)cc1
InChIInChI=1S/C17H19ClN2O/c1-20(12-16-6-8-17(18)9-7-16)11-15-4-2-14(3-5-15)10-19-13-21/h2-9,13H,10-12H2,1H3,(H,19,21)
InChIKeyVIVLCBQPCVVTPL-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide?
The IUPAC name of N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide (CID 53231452) is N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide.
What is the SMILES notation for N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide?
The canonical SMILES for N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide is CN(Cc1ccc(Cl)cc1)Cc1ccc(CNC=O)cc1.
What is the InChIKey of N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide?
The InChIKey is VIVLCBQPCVVTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(12-16-6-8-17(18)9-7-16)11-15-4-2-14(3-5-15)10-19-13-21/h2-9,13H,10-12H2,1H3,(H,19,21).
What are the key properties of N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide?
N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide has a molecular weight of 302.81 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]phenyl]methyl]formamide is sourced from PubChem (CID 53231452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).